N-(4-cyanophenyl)piperidine-1-carboxamide

C13H15N3O — CID 89462027

IUPACN-(4-cyanophenyl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H15N3O/c14-10-11-4-6-12(7-5-11)15-13(17)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2,(H,15,17)
InChIKeyMRSMTDQHCJAKSB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.58
Rot. Bonds1

About N-(4-cyanophenyl)piperidine-1-carboxamide

N-(4-cyanophenyl)piperidine-1-carboxamide (PubChem CID 89462027) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)piperidine-1-carboxamide
PubChem CID89462027
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4-cyanophenyl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H15N3O/c14-10-11-4-6-12(7-5-11)15-13(17)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2,(H,15,17)
InChIKeyMRSMTDQHCJAKSB-UHFFFAOYSA-N
XLogP2.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
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(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
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N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
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4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
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N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)piperidine-1-carboxamide (CID 89462027) is N-(4-cyanophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)piperidine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)piperidine-1-carboxamide?
The InChIKey is MRSMTDQHCJAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-11-4-6-12(7-5-11)15-13(17)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2,(H,15,17).
What are the key properties of N-(4-cyanophenyl)piperidine-1-carboxamide?
N-(4-cyanophenyl)piperidine-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 89462027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).